1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea

C20H22N4O4S — CID 51115252

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea (PubChem CID 51115252) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea
• PubChem CID: 51115252
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.14
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea
• SMILES: O=C(NCC1Cc2ccccc2O1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
• InChI: InChI=1S/C20H22N4O4S/c25-20(22-13-16-11-14-5-1-2-8-18(14)28-16)23-15-6-3-7-17(12-15)29(26,27)24-19-9-4-10-21-19/h1-3,5-8,12,16H,4,9-11,13H2,(H,21,24)(H2,22,23,25)
• InChIKey: WXUHYQBLEBZPOL-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 108.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea?

The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea (CID 51115252) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea is O=C(NCC1Cc2ccccc2O1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.

What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea?

The InChIKey is WXUHYQBLEBZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-20(22-13-16-11-14-5-1-2-8-18(14)28-16)23-15-6-3-7-17(12-15)29(26,27)24-19-9-4-10-21-19/h1-3,5-8,12,16H,4,9-11,13H2,(H,21,24)(H2,22,23,25).

What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea?

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea has a molecular weight of 414.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]urea is sourced from PubChem (CID 51115252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).